SCHEMBL11009750

SCHEMBL11009750

CCn1nc(C(=O)n2ccnc2)c(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.67
▸ ALDH1A1 P00352 3/20 0.67
▸ LMNA P02545 2/20 0.67
▸ TSHR P16473 1/20 0.67
▸ BLM P54132 1/20 0.67
▸ PMP22 Q01453 1/20 0.67
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ PDE4A P27815 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ BRD9 Q9H8M2 1/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 5/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16450335 0.81 ALDH1A1 (0.81) KDM4EALDH1A1LMNATSHRBLM
Cinoxacin SCHEMBL29471771 0.81 KDM4E (1.00) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11153077 0.81 ALDH1A1 (0.81) KDM4EALDH1A1LMNATSHRBLM
Cinoxacin SCHEMBL43770 0.81 KDM4E (1.00) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11149177 0.75 ALDH1A1 (0.75) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11149089 0.75 ALDH1A1 (0.71) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11149202 0.74 ALDH1A1 (0.70) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11146576 0.74 ALDH1A1 (0.70) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL9040334 0.72 KDM4E (0.67) KDM4EALDH1A1LMNATSHRBLM
SCHEMBL11154799 0.72 ALDH1A1 (0.82) KDM4EALDH1A1LMNATSHRBLM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4503052-A OXACEPHALOSPORIN ANTIBIOTICS ELI LILLY AND COMPANY (US) 1985-03-05 — — US disclosed
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